General Information of the Compound
| Compound ID |
CP0451860
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| Compound Name |
3-[[7-(3-methoxypropoxy)quinazolin-4-yl]amino]-N-methyl-4-(2,2,2-trifluoroethoxy)benzenesulfonamide
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| Structure |
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| Formula |
C21H23F3N4O5S
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| Molecular Weight |
500.499
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| Canonical SMILES |
CNS(=O)(=O)c1ccc(OCC(F)(F)F)c(Nc2ncnc3cc(OCCCOC)ccc23)c1
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| InChI |
InChI=1S/C21H23F3N4O5S/c1-25-34(29,30)15-5-7-19(33-12-21(22,23)24)18(11-15)28-20-16-6-4-14(32-9-3-8-31-2)10-17(16)26-13-27-20/h4-7,10-11,13,25H,3,8-9,12H2,1-2H3,(H,26,27,28)
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| InChIKey |
TUINBAPNAKPWHO-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound